3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H21F3N2O2 — CID 94889885

IUPAC3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)10-22-6-5-13(9-22)21-16(24)14-7-11-3-1-2-4-12(11)8-15(14)23/h7-8,13,23H,1-6,9-10H2,(H,21,24)/t13-/m0/s1
InChIKeyZYDGVUSKLQGYGT-ZDUSSCGKSA-N
MW342.36 g/mol
LogP2.64
Rot. Bonds3

About 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 94889885) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID94889885
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)10-22-6-5-13(9-22)21-16(24)14-7-11-3-1-2-4-12(11)8-15(14)23/h7-8,13,23H,1-6,9-10H2,(H,21,24)/t13-/m0/s1
InChIKeyZYDGVUSKLQGYGT-ZDUSSCGKSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 97010561
N-(1-cyclopropylpiperidin-4-yl)-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 48691425
N-(1-acetylpiperidin-4-yl)-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 48691250
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
CID 94821910
N-[2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994192
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
1-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 138053092

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 94889885) is 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(cc1O)CCCC2.
What is the InChIKey of 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZYDGVUSKLQGYGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)10-22-6-5-13(9-22)21-16(24)14-7-11-3-1-2-4-12(11)8-15(14)23/h7-8,13,23H,1-6,9-10H2,(H,21,24)/t13-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 94889885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).